SCHEMBL24928604

SCHEMBL24928604

NC(=O)C1CC(OCc2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
CTSC P53634 1/20 0.42
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AGTR2 P50052 2/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.39
BDKRB2 P30411 2/20 0.39
DPP4 P27487 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7385029 1.00 KCNH2 (0.44) KCNH2CTSCCYP2C19SMN1; SMN2AGTR2
SCHEMBL6238616 1.00 KCNH2 (0.44) KCNH2CTSCCYP2C19SMN1; SMN2AGTR2
SCHEMBL16920345 0.88 CTSC (0.44) CTSCAGTR2EPHX2CTSLCTSB
SCHEMBL1006306 0.88 CTSC (0.44) CTSCAGTR2EPHX2CTSLCTSB
SCHEMBL1768681 0.88 CTSC (0.44) CTSCAGTR2EPHX2CTSLCTSB
SCHEMBL6374726 0.88 CTSC (0.44) CTSCAGTR2EPHX2CTSLCTSB
SCHEMBL5802417 0.88 CTSC (0.44) CTSCAGTR2EPHX2CTSLCTSB
SCHEMBL1006317 0.88 CTSC (0.44) CTSCAGTR2EPHX2CTSLCTSB
SCHEMBL1006316 0.88 CTSC (0.44) CTSCAGTR2EPHX2CTSLCTSB
SCHEMBL30439054 0.87 KCNH2 (0.49) KCNH2CYP2C19SMN1; SMN2AGTR2EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed